N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

C22H26BrN5O2 — CID 75551292

IUPACN-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCCN(C(=O)C2CC(c3ccccn3)NN2)C1
InChIInChI=1S/C22H26BrN5O2/c23-17-8-6-15(7-9-17)13-25-21(29)16-4-3-11-28(14-16)22(30)20-12-19(26-27-20)18-5-1-2-10-24-18/h1-2,5-10,16,19-20,26-27H,3-4,11-14H2,(H,25,29)
InChIKeyWJLJVTPYNMVCCB-UHFFFAOYSA-N
MW472.39 g/mol
LogP2.31
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 75551292) has the molecular formula C22H26BrN5O2 and a molecular weight of 472.39 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
PubChem CID75551292
Molecular FormulaC22H26BrN5O2
Molecular Weight472.39 g/mol
Exact Mass471.13
IUPAC NameN-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCCN(C(=O)C2CC(c3ccccn3)NN2)C1
InChIInChI=1S/C22H26BrN5O2/c23-17-8-6-15(7-9-17)13-25-21(29)16-4-3-11-28(14-16)22(30)20-12-19(26-27-20)18-5-1-2-10-24-18/h1-2,5-10,16,19-20,26-27H,3-4,11-14H2,(H,25,29)
InChIKeyWJLJVTPYNMVCCB-UHFFFAOYSA-N
XLogP2.31
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551300
N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75188110
N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551296
(3S)-N-[(4-bromophenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892742
2-(4-bromophenyl)-1-[4-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 75551224
ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 75551257
N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551266
N-[(3-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551254
N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551253
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (CID 75551292) is N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is O=C(NCc1ccc(Br)cc1)C1CCCN(C(=O)C2CC(c3ccccn3)NN2)C1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is WJLJVTPYNMVCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN5O2/c23-17-8-6-15(7-9-17)13-25-21(29)16-4-3-11-28(14-16)22(30)20-12-19(26-27-20)18-5-1-2-10-24-18/h1-2,5-10,16,19-20,26-27H,3-4,11-14H2,(H,25,29).
What are the key properties of N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 472.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 75551292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).